CID 14194551

114326-14-6

Structural Information

Molecular Formula
C9H18ClNO2
SMILES
CC(C)(C)OC(=O)N(C)CCCCl
InChI
InChI=1S/C9H18ClNO2/c1-9(2,3)13-8(12)11(4)7-5-6-10/h5-7H2,1-4H3
InChIKey
BVGHWHRLCIXJTJ-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-chloropropyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
Patents

207.1026 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.10988 147.1
[M+Na]+ 230.09182 154.0
[M-H]- 206.09532 148.9
[M+NH4]+ 225.13642 167.8
[M+K]+ 246.06576 153.3
[M+H-H2O]+ 190.09986 143.2
[M+HCOO]- 252.10080 165.3
[M+CH3COO]- 266.11645 190.5
[M+Na-2H]- 228.07727 151.2
[M]+ 207.10205 152.8
[M]- 207.10315 152.8
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