CID 13969855

N-boc-dl-2-amino-1-hexanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
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 154.8
[M+Na]+ 240.157018 159.1
[M-H]- 216.160524 153.3
[M+NH4]+ 235.201623 172.7
[M+K]+ 256.130958 158.9
[M+H-H2O]+ 200.165060 149.8
[M+HCOO]- 262.166001 174.0
[M+CH3COO]- 276.181651 189.5
[M+Na-2H]- 238.142466 157.2
[M]+ 217.16725142 156.9
[M]- 217.16834858 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