CID 118542675

1456895-24-1

Structural Information

Molecular Formula
C14H25NO
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)C(=O)NC2CC2)C(C)C
InChI
InChI=1S/C14H25NO/c1-9(2)12-7-4-10(3)8-13(12)14(16)15-11-5-6-11/h9-13H,4-8H2,1-3H3,(H,15,16)/t10-,12+,13-/m1/s1
InChIKey
TYANUEJCOOHPGR-KGYLQXTDSA-N
Compound name
(1R,2S,5R)-N-cyclopropyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

27
Patents

223.19362 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.20090 151.6
[M+Na]+ 246.18284 156.7
[M-H]- 222.18634 158.2
[M+NH4]+ 241.22744 165.0
[M+K]+ 262.15678 154.0
[M+H-H2O]+ 206.19088 145.0
[M+HCOO]- 268.19182 170.2
[M+CH3COO]- 282.20747 198.1
[M+Na-2H]- 244.16829 151.7
[M]+ 223.19307 149.9
[M]- 223.19417 149.9
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