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

11
Patents

277.06775 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.07503 160.0
[M+Na]+ 300.05697 170.4
[M-H]- 276.06047 167.8
[M+NH4]+ 295.10157 175.8
[M+K]+ 316.03091 160.0
[M+H-H2O]+ 260.06501 158.6
[M+HCOO]- 322.06595 179.7
[M+CH3COO]- 336.08160 202.8
[M+Na-2H]- 298.04242 164.7
[M]+ 277.06720 182.7
[M]- 277.06830 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