CID 155858824

(1s)-1-(1,4-dimethyl-1h-1,2,3-triazol-5-yl)propan-1-amine dihydrochloride

Structural Information

Molecular Formula
C7H14N4
SMILES
CC[C@@H](C1=C(N=NN1C)C)N
InChI
InChI=1S/C7H14N4/c1-4-6(8)7-5(2)9-10-11(7)3/h6H,4,8H2,1-3H3/t6-/m0/s1
InChIKey
OYXNTYRBYKSGGN-LURJTMIESA-N
Compound name
(1S)-1-(3,5-dimethyltriazol-4-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.12184 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.12912 134.7
[M+Na]+ 177.11106 143.8
[M-H]- 153.11456 134.5
[M+NH4]+ 172.15566 153.6
[M+K]+ 193.08500 142.3
[M+H-H2O]+ 137.11910 127.1
[M+HCOO]- 199.12004 156.1
[M+CH3COO]- 213.13569 180.9
[M+Na-2H]- 175.09651 138.2
[M]+ 154.12129 134.5
[M]- 154.12239 134.5
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.