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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.14003 138.9
[M+Na]+ 204.12197 146.4
[M-H]- 180.12547 138.9
[M+NH4]+ 199.16657 157.5
[M+K]+ 220.09591 143.8
[M+H-H2O]+ 164.13001 130.1
[M+HCOO]- 226.13095 157.8
[M+CH3COO]- 240.14660 150.4
[M+Na-2H]- 202.10742 142.2
[M]+ 181.13220 134.0
[M]- 181.13330 134.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.