CID 10398452

169269-03-8

Structural Information

Molecular Formula
C11H23NO3
SMILES
CC(CCCCO)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H23NO3/c1-9(7-5-6-8-13)12-10(14)15-11(2,3)4/h9,13H,5-8H2,1-4H3,(H,12,14)
InChIKey
CJLGMGJQIGAYNO-UHFFFAOYSA-N
Compound name
tert-butyl N-(6-hydroxyhexan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

217.1678 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.17508 154.8
[M+Na]+ 240.15702 159.1
[M-H]- 216.16052 153.3
[M+NH4]+ 235.20162 172.7
[M+K]+ 256.13096 158.9
[M+H-H2O]+ 200.16506 149.8
[M+HCOO]- 262.16600 174.0
[M+CH3COO]- 276.18165 189.5
[M+Na-2H]- 238.14247 157.2
[M]+ 217.16725 156.9
[M]- 217.16835 156.9
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