CID 52278072

1374970-04-3

Structural Information

Molecular Formula
C10H20N2O2
SMILES
CC(C)(C)OC(=O)N[C@H](CN)C1CC1
InChI
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8(6-11)7-4-5-7/h7-8H,4-6,11H2,1-3H3,(H,12,13)/t8-/m1/s1
InChIKey
YXKXVKFAISFJPS-MRVPVSSYSA-N
Compound name
tert-butyl N-[(1S)-2-amino-1-cyclopropylethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

200.15248 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.159756 144.8
[M+Na]+ 223.141698 151.2
[M-H]- 199.145204 148.8
[M+NH4]+ 218.186303 158.7
[M+K]+ 239.115638 149.3
[M+H-H2O]+ 183.149740 139.0
[M+HCOO]- 245.150681 166.5
[M+CH3COO]- 259.166331 192.7
[M+Na-2H]- 221.127146 148.5
[M]+ 200.15193142 146.7
[M]- 200.15302858 146.7
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