CID 5358361

(e)-3-(cyclohex-1-en-1-yl)acrylic acid

Structural Information

Molecular Formula
C9H12O2
SMILES
C1CCC(=CC1)/C=C/C(=O)O
InChI
InChI=1S/C9H12O2/c10-9(11)7-6-8-4-2-1-3-5-8/h4,6-7H,1-3,5H2,(H,10,11)/b7-6+
InChIKey
HTBJZZUJRAWYLX-VOTSOKGWSA-N
Compound name
(E)-3-(cyclohexen-1-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

152.08372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.090996 132.6
[M+Na]+ 175.072938 137.8
[M-H]- 151.076444 134.1
[M+NH4]+ 170.117543 152.7
[M+K]+ 191.046878 135.8
[M+H-H2O]+ 135.080980 127.3
[M+HCOO]- 197.081921 152.6
[M+CH3COO]- 211.097571 171.8
[M+Na-2H]- 173.058386 137.1
[M]+ 152.08317142 128.5
[M]- 152.08426858 128.5
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