CID 63930530

2-[(cycloheptylideneamino)oxy]acetic acid

Structural Information

Molecular Formula
C9H15NO3
SMILES
C1CCCC(=NOCC(=O)O)CC1
InChI
InChI=1S/C9H15NO3/c11-9(12)7-13-10-8-5-3-1-2-4-6-8/h1-7H2,(H,11,12)
InChIKey
UBJYWEPKULSKSZ-UHFFFAOYSA-N
Compound name
2-(cycloheptylideneamino)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.1052 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.112476 135.6
[M+Na]+ 208.094418 137.4
[M-H]- 184.097924 139.2
[M+NH4]+ 203.139023 153.2
[M+K]+ 224.068358 141.7
[M+H-H2O]+ 168.102460 130.0
[M+HCOO]- 230.103401 156.1
[M+CH3COO]- 244.119051 183.6
[M+Na-2H]- 206.079866 139.8
[M]+ 185.10465142 129.7
[M]- 185.10574858 129.7
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

No patent data available for this compound.