CID 5077792

(5-methyl-1h-tetrazol-1-yl)acetic acid

Structural Information

Molecular Formula
C4H6N4O2
SMILES
CC1=NN=NN1CC(=O)O
InChI
InChI=1S/C4H6N4O2/c1-3-5-6-7-8(3)2-4(9)10/h2H2,1H3,(H,9,10)
InChIKey
QMGRTPHVXPNNBK-UHFFFAOYSA-N
Compound name
2-(5-methyltetrazol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

142.04907 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.05635 126.7
[M+Na]+ 165.03829 136.6
[M-H]- 141.04179 124.2
[M+NH4]+ 160.08289 143.9
[M+K]+ 181.01223 135.7
[M+H-H2O]+ 125.04633 118.8
[M+HCOO]- 187.04727 146.4
[M+CH3COO]- 201.06292 170.2
[M+Na-2H]- 163.02374 132.4
[M]+ 142.04852 127.5
[M]- 142.04962 127.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe