CID 16763501

924839-40-7

Structural Information

Molecular Formula
C7H14N4
SMILES
CC(C)N1C=NN=C1CNC
InChI
InChI=1S/C7H14N4/c1-6(2)11-5-9-10-7(11)4-8-3/h5-6,8H,4H2,1-3H3
InChIKey
HTBNRMWFFNIJSW-UHFFFAOYSA-N
Compound name
N-methyl-1-(4-propan-2-yl-1,2,4-triazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

154.12184 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.129116 134.3
[M+Na]+ 177.111058 142.4
[M-H]- 153.114564 134.1
[M+NH4]+ 172.155663 153.1
[M+K]+ 193.084998 141.4
[M+H-H2O]+ 137.119100 126.3
[M+HCOO]- 199.120041 156.4
[M+CH3COO]- 213.135691 180.4
[M+Na-2H]- 175.096506 139.5
[M]+ 154.12129142 134.8
[M]- 154.12238858 134.8
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

patents stripe