CID 13082642

3-cyclopropylbut-2-enoic acid

Structural Information

Molecular Formula
C7H10O2
SMILES
C/C(=C\C(=O)O)/C1CC1
InChI
InChI=1S/C7H10O2/c1-5(4-7(8)9)6-2-3-6/h4,6H,2-3H2,1H3,(H,8,9)/b5-4+
InChIKey
VADJFJIXYOTWIQ-SNAWJCMRSA-N
Compound name
(E)-3-cyclopropylbut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

126.06808 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 125.1
[M+Na]+ 149.05730 133.7
[M-H]- 125.06080 128.6
[M+NH4]+ 144.10190 141.8
[M+K]+ 165.03124 131.5
[M+H-H2O]+ 109.06534 119.9
[M+HCOO]- 171.06628 146.5
[M+CH3COO]- 185.08193 172.9
[M+Na-2H]- 147.04275 129.5
[M]+ 126.06753 126.3
[M]- 126.06863 126.3
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