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]+ 186.11248 135.6
[M+Na]+ 208.09442 137.4
[M-H]- 184.09792 139.2
[M+NH4]+ 203.13902 153.2
[M+K]+ 224.06836 141.7
[M+H-H2O]+ 168.10246 130.0
[M+HCOO]- 230.10340 156.1
[M+CH3COO]- 244.11905 183.6
[M+Na-2H]- 206.07987 139.8
[M]+ 185.10465 129.7
[M]- 185.10575 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.