CID 49787363

Schembl2581833

Structural Information

Molecular Formula
C14H27NO3
SMILES
CC1CC(CC(C1)(C)C)OC(=O)NCCCOC
InChI
InChI=1S/C14H27NO3/c1-11-8-12(10-14(2,3)9-11)18-13(16)15-6-5-7-17-4/h11-12H,5-10H2,1-4H3,(H,15,16)
InChIKey
XKPVQQCVMUKNEK-UHFFFAOYSA-N
Compound name
(3,3,5-trimethylcyclohexyl) N-(3-methoxypropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

257.1991 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.20638 162.4
[M+Na]+ 280.18832 166.5
[M-H]- 256.19182 165.0
[M+NH4]+ 275.23292 181.3
[M+K]+ 296.16226 165.9
[M+H-H2O]+ 240.19636 156.8
[M+HCOO]- 302.19730 181.8
[M+CH3COO]- 316.21295 199.0
[M+Na-2H]- 278.17377 164.0
[M]+ 257.19855 163.0
[M]- 257.19965 163.0
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