CID 117246

25462-17-3

Structural Information

Molecular Formula
C11H23NO3
SMILES
CCCC(C)(CO)COC(=O)NC(C)C
InChI
InChI=1S/C11H23NO3/c1-5-6-11(4,7-13)8-15-10(14)12-9(2)3/h9,13H,5-8H2,1-4H3,(H,12,14)
InChIKey
CYKYMRWEPMUFSS-UHFFFAOYSA-N
Compound name
[2-(hydroxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

11
Patents

217.1678 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.175076 154.6
[M+Na]+ 240.157018 158.8
[M-H]- 216.160524 153.0
[M+NH4]+ 235.201623 172.4
[M+K]+ 256.130958 158.6
[M+H-H2O]+ 200.165060 149.5
[M+HCOO]- 262.166001 173.7
[M+CH3COO]- 276.181651 190.2
[M+Na-2H]- 238.142466 157.0
[M]+ 217.16725142 156.7
[M]- 217.16834858 156.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe