CID 20315443

69196-07-2

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CC1=CC(=C(C=C1)C(=O)O)NN
InChI
InChI=1S/C8H10N2O2/c1-5-2-3-6(8(11)12)7(4-5)10-9/h2-4,10H,9H2,1H3,(H,11,12)
InChIKey
BVPBWGYLHIUZOB-UHFFFAOYSA-N
Compound name
2-hydrazinyl-4-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

166.07423 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 133.3
[M+Na]+ 189.06345 140.8
[M-H]- 165.06695 135.8
[M+NH4]+ 184.10805 152.6
[M+K]+ 205.03739 138.8
[M+H-H2O]+ 149.07149 127.6
[M+HCOO]- 211.07243 157.7
[M+CH3COO]- 225.08808 181.4
[M+Na-2H]- 187.04890 138.3
[M]+ 166.07368 130.7
[M]- 166.07478 130.7
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

patents stripe