CID 155978110

3-methyl-1-[(1h-1,2,3-triazol-5-yl)methyl]pyrrolidin-3-amine dihydrochloride

Structural Information

Molecular Formula

C₈H₁₅N₅

SMILES

CC1(CCN(C1)CC2=NNN=C2)N

InChI

InChI=1S/C8H15N5/c1-8(9)2-3-13(6-8)5-7-4-10-12-11-7/h4H,2-3,5-6,9H2,1H3,(H,10,11,12)

InChIKey

BRTMNQUOUZUYNZ-UHFFFAOYSA-N

Compound name

3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 181.13275 Da
Monoisotopic Mass: -1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	182.140026	138.9
[M+Na]+	204.121968	146.4
[M-H]-	180.125474	138.9
[M+NH4]+	199.166573	157.5
[M+K]+	220.095908	143.8
[M+H-H2O]+	164.130010	130.1
[M+HCOO]-	226.130951	157.8
[M+CH3COO]-	240.146601	150.4
[M+Na-2H]-	202.107416	142.2
[M]+	181.13220142	134.0
[M]-	181.13329858	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.