CID 132327766

2212004-17-4

Structural Information

Molecular Formula
C11H20BrNO2
SMILES
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C1)CBr
InChI
InChI=1S/C11H20BrNO2/c1-11(2,3)15-10(14)13-9-5-4-8(6-9)7-12/h8-9H,4-7H2,1-3H3,(H,13,14)/t8-,9+/m0/s1
InChIKey
VYWILIRJCAZVBU-DTWKUNHWSA-N
Compound name
tert-butyl N-[(1R,3S)-3-(bromomethyl)cyclopentyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.06775 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.07503 163.2
[M+Na]+ 300.05697 171.6
[M-H]- 276.06047 168.6
[M+NH4]+ 295.10157 184.5
[M+K]+ 316.03091 161.4
[M+H-H2O]+ 260.06501 162.9
[M+HCOO]- 322.06595 181.4
[M+CH3COO]- 336.08160 196.1
[M+Na-2H]- 298.04242 166.0
[M]+ 277.06720 180.3
[M]- 277.06830 180.3
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.