CID 61353394

1248021-27-3

Structural Information

Molecular Formula
C7H14N4
SMILES
CC1=NN=C(N1C)CCCN
InChI
InChI=1S/C7H14N4/c1-6-9-10-7(11(6)2)4-3-5-8/h3-5,8H2,1-2H3
InChIKey
WPOPKALCUXTWBT-UHFFFAOYSA-N
Compound name
3-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.12184 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.12912 134.2
[M+Na]+ 177.11106 143.5
[M-H]- 153.11456 133.8
[M+NH4]+ 172.15566 153.1
[M+K]+ 193.08500 141.6
[M+H-H2O]+ 137.11910 126.4
[M+HCOO]- 199.12004 156.6
[M+CH3COO]- 213.13569 180.0
[M+Na-2H]- 175.09651 138.8
[M]+ 154.12129 134.6
[M]- 154.12239 134.6
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.