CID 10353840

173436-02-7

Structural Information

Molecular Formula
C12H25NO3
SMILES
CC(C)(C)OC(=O)NCCCCCCCO
InChI
InChI=1S/C12H25NO3/c1-12(2,3)16-11(15)13-9-7-5-4-6-8-10-14/h14H,4-10H2,1-3H3,(H,13,15)
InChIKey
YJHJMTNYNBJHIZ-UHFFFAOYSA-N
Compound name
tert-butyl N-(7-hydroxyheptyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

231.18344 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.19072 159.3
[M+Na]+ 254.17266 163.4
[M-H]- 230.17616 157.5
[M+NH4]+ 249.21726 176.7
[M+K]+ 270.14660 162.4
[M+H-H2O]+ 214.18070 153.9
[M+HCOO]- 276.18164 179.1
[M+CH3COO]- 290.19729 191.7
[M+Na-2H]- 252.15811 162.4
[M]+ 231.18289 162.4
[M]- 231.18399 162.4
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.