CID 43524624

1019258-77-5

Structural Information

Molecular Formula

C₅H₁₀N₄

SMILES

CC1=NN=C(N1C)CN

InChI

InChI=1S/C5H10N4/c1-4-7-8-5(3-6)9(4)2/h3,6H2,1-2H3

InChIKey

CEHWOQJCKWKFJD-UHFFFAOYSA-N

Compound name

(4,5-dimethyl-1,2,4-triazol-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 126.090546 Da
Monoisotopic Mass: -1.3
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]+	127.09782	125.2
[M+Na]+	149.07976	135.3
[M-H]-	125.08327	125.1
[M+NH4]+	144.12437	145.2
[M+K]+	165.05370	133.9
[M+H-H2O]+	109.08781	117.8
[M+HCOO]-	171.08875	148.2
[M+CH3COO]-	185.10440	174.0
[M+Na-2H]-	147.06521	130.9
[M]+	126.09000	124.9
[M]-	126.09109	124.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe