CID 240396

Propan-2-yl n-decylcarbamate

Structural Information

Molecular Formula
C14H29NO2
SMILES
CCCCCCCCCCNC(=O)OC(C)C
InChI
InChI=1S/C14H29NO2/c1-4-5-6-7-8-9-10-11-12-15-14(16)17-13(2)3/h13H,4-12H2,1-3H3,(H,15,16)
InChIKey
XQTZTBJGZIQWFC-UHFFFAOYSA-N
Compound name
propan-2-yl N-decylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.21983 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.22711 165.9
[M+Na]+ 266.20905 168.9
[M-H]- 242.21255 164.9
[M+NH4]+ 261.25365 183.3
[M+K]+ 282.18299 167.8
[M+H-H2O]+ 226.21709 159.5
[M+HCOO]- 288.21803 186.8
[M+CH3COO]- 302.23368 199.5
[M+Na-2H]- 264.19450 166.3
[M]+ 243.21928 170.2
[M]- 243.22038 170.2
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

No patent data available for this compound.