CID 546110

Tert-butyl n-(1-hydroxy-4-methylpentan-2-yl)carbamate

Structural Information

Molecular Formula
C11H23NO3
SMILES
CC(C)CC(CO)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H23NO3/c1-8(2)6-9(7-13)12-10(14)15-11(3,4)5/h8-9,13H,6-7H2,1-5H3,(H,12,14)
InChIKey
LQTMEOSBXTVYRM-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

537
Patents

217.1678 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.17508 154.6
[M+Na]+ 240.15702 158.7
[M-H]- 216.16052 153.2
[M+NH4]+ 235.20162 172.4
[M+K]+ 256.13096 159.0
[M+H-H2O]+ 200.16506 149.7
[M+HCOO]- 262.16600 172.8
[M+CH3COO]- 276.18165 190.5
[M+Na-2H]- 238.14247 155.8
[M]+ 217.16725 156.0
[M]- 217.16835 156.0
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