CID 115458829

2-{4-[(dimethylamino)methyl]-1h-1,2,3-triazol-1-yl}acetic acid hydrochloride

Structural Information

Molecular Formula
C7H12N4O2
SMILES
CN(C)CC1=CN(N=N1)CC(=O)O
InChI
InChI=1S/C7H12N4O2/c1-10(2)3-6-4-11(9-8-6)5-7(12)13/h4H,3,5H2,1-2H3,(H,12,13)
InChIKey
CYNNSUIBDSJKML-UHFFFAOYSA-N
Compound name
2-[4-[(dimethylamino)methyl]triazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.09602 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.103296 138.9
[M+Na]+ 207.085238 146.8
[M-H]- 183.088744 139.0
[M+NH4]+ 202.129843 156.2
[M+K]+ 223.059178 146.7
[M+H-H2O]+ 167.093280 130.8
[M+HCOO]- 229.094221 160.7
[M+CH3COO]- 243.109871 184.5
[M+Na-2H]- 205.070686 143.1
[M]+ 184.09547142 140.9
[M]- 184.09656858 140.9
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.