CID 10080852

(s)-n-boc-2,3-epoxypropylamine

Structural Information

Molecular Formula
C8H15NO3
SMILES
CC(C)(C)OC(=O)NC[C@H]1CO1
InChI
InChI=1S/C8H15NO3/c1-8(2,3)12-7(10)9-4-6-5-11-6/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1
InChIKey
ZBBGKXNNTNBRBH-LURJTMIESA-N
Compound name
tert-butyl N-[[(2S)-oxiran-2-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

451
Patents

173.1052 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 138.5
[M+Na]+ 196.09442 146.7
[M-H]- 172.09792 144.0
[M+NH4]+ 191.13902 152.9
[M+K]+ 212.06836 146.9
[M+H-H2O]+ 156.10246 132.7
[M+HCOO]- 218.10340 160.4
[M+CH3COO]- 232.11905 183.9
[M+Na-2H]- 194.07987 145.9
[M]+ 173.10465 143.9
[M]- 173.10575 143.9
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