CID 4460490

Tert-butyl n-(3-bromopropyl)carbamate

Structural Information

Molecular Formula
C8H16BrNO2
SMILES
CC(C)(C)OC(=O)NCCCBr
InChI
InChI=1S/C8H16BrNO2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-6H2,1-3H3,(H,10,11)
InChIKey
IOKGWQZQCNXXLD-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-bromopropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4110
Patents

237.03644 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.04372 148.4
[M+Na]+ 260.02566 158.0
[M-H]- 236.02916 151.3
[M+NH4]+ 255.07026 169.7
[M+K]+ 275.99960 148.0
[M+H-H2O]+ 220.03370 148.3
[M+HCOO]- 282.03464 168.1
[M+CH3COO]- 296.05029 190.2
[M+Na-2H]- 258.01111 154.8
[M]+ 237.03589 168.5
[M]- 237.03699 168.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe