CID 69236329

Tert-butyl n-(3-bromopropyl)-n-cyclopropylcarbamate

Structural Information

Molecular Formula
C11H20BrNO2
SMILES
CC(C)(C)OC(=O)N(CCCBr)C1CC1
InChI
InChI=1S/C11H20BrNO2/c1-11(2,3)15-10(14)13(8-4-7-12)9-5-6-9/h9H,4-8H2,1-3H3
InChIKey
NGWGFTQWJRGRRN-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-bromopropyl)-N-cyclopropylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

277.06775 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.075026 160.0
[M+Na]+ 300.056968 170.4
[M-H]- 276.060474 167.8
[M+NH4]+ 295.101573 175.8
[M+K]+ 316.030908 160.0
[M+H-H2O]+ 260.065010 158.6
[M+HCOO]- 322.065951 179.7
[M+CH3COO]- 336.081601 202.8
[M+Na-2H]- 298.042416 164.7
[M]+ 277.06720142 182.7
[M]- 277.06829858 182.7
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