CID 83678780

2418642-37-0

Structural Information

Molecular Formula
C7H12N4
SMILES
C1CN2C=NN=C2CC1CN
InChI
InChI=1S/C7H12N4/c8-4-6-1-2-11-5-9-10-7(11)3-6/h5-6H,1-4,8H2
InChIKey
QCAHQEGOYONBHI-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.1062 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.113476 131.6
[M+Na]+ 175.095418 139.4
[M-H]- 151.098924 131.3
[M+NH4]+ 170.140023 151.0
[M+K]+ 191.069358 137.1
[M+H-H2O]+ 135.103460 123.5
[M+HCOO]- 197.104401 151.1
[M+CH3COO]- 211.120051 143.9
[M+Na-2H]- 173.080866 138.0
[M]+ 152.10565142 127.7
[M]- 152.10674858 127.7
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.