CID 58658352

2-heptylcyclopropanecarboxylic acid, cis-

Structural Information

Molecular Formula
C11H20O2
SMILES
CCCCCCC[C@@H]1C[C@@H]1C(=O)O
InChI
InChI=1S/C11H20O2/c1-2-3-4-5-6-7-9-8-10(9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)/t9-,10+/m1/s1
InChIKey
CEVYHFHDLQMAMS-ZJUUUORDSA-N
Compound name
trans-(1S,2R)-2-heptylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

53
Patents

184.14633 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.153606 142.7
[M+Na]+ 207.135548 150.5
[M-H]- 183.139054 145.7
[M+NH4]+ 202.180153 157.5
[M+K]+ 223.109488 147.4
[M+H-H2O]+ 167.143590 136.9
[M+HCOO]- 229.144531 163.6
[M+CH3COO]- 243.160181 186.2
[M+Na-2H]- 205.120996 145.7
[M]+ 184.14578142 147.2
[M]- 184.14687858 147.2
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