CID 17039461

[1-(2-hydroxy-ethyl)-2,2-dimethyl-propyl]-carbamic acid tert-butyl ester

Structural Information

Molecular Formula
C12H25NO3
SMILES
CC(C)(C)C(CCO)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H25NO3/c1-11(2,3)9(7-8-14)13-10(15)16-12(4,5)6/h9,14H,7-8H2,1-6H3,(H,13,15)
InChIKey
GWNITSXTIFUCSM-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-hydroxy-4,4-dimethylpentan-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

231.18344 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.19072 157.9
[M+Na]+ 254.17266 162.4
[M-H]- 230.17616 156.6
[M+NH4]+ 249.21726 175.5
[M+K]+ 270.14660 162.4
[M+H-H2O]+ 214.18070 153.6
[M+HCOO]- 276.18164 175.2
[M+CH3COO]- 290.19729 192.3
[M+Na-2H]- 252.15811 160.9
[M]+ 231.18289 159.8
[M]- 231.18399 159.8
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