CID 94397924

15136-06-8

Structural Information

Molecular Formula
C7H10O2
SMILES
C1CC1[C@@H]2C[C@H]2C(=O)O
InChI
InChI=1S/C7H10O2/c8-7(9)6-3-5(6)4-1-2-4/h4-6H,1-3H2,(H,8,9)/t5-,6+/m0/s1
InChIKey
MZCSKKFXNXGUGR-NTSWFWBYSA-N
Compound name
cis-(1R,2S)-2-cyclopropylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

126.06808 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.075356 133.6
[M+Na]+ 149.057298 141.6
[M-H]- 125.060804 140.1
[M+NH4]+ 144.101903 143.6
[M+K]+ 165.031238 139.9
[M+H-H2O]+ 109.065340 128.3
[M+HCOO]- 171.066281 152.9
[M+CH3COO]- 185.081931 184.2
[M+Na-2H]- 147.042746 136.9
[M]+ 126.06753142 136.6
[M]- 126.06862858 136.6
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