CID 84728249

En300-1881479

Structural Information

Molecular Formula
C13H26N2O2
SMILES
CC(C)(C)OC(=O)NC(CC1CCCC1)CN
InChI
InChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15-11(9-14)8-10-6-4-5-7-10/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKey
XDBDAROJNPGLFV-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-amino-3-cyclopentylpropan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.19943 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.20671 162.2
[M+Na]+ 265.18865 164.2
[M-H]- 241.19215 164.0
[M+NH4]+ 260.23325 180.3
[M+K]+ 281.16259 163.4
[M+H-H2O]+ 225.19669 155.9
[M+HCOO]- 287.19763 181.6
[M+CH3COO]- 301.21328 196.6
[M+Na-2H]- 263.17410 162.1
[M]+ 242.19888 158.9
[M]- 242.19998 158.9
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

No patent data available for this compound.