CID 37818419

3-(n-boc-methylaminomethyl)azetidine

Structural Information

Molecular Formula
C10H20N2O2
SMILES
CC(C)(C)OC(=O)N(C)CC1CNC1
InChI
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12(4)7-8-5-11-6-8/h8,11H,5-7H2,1-4H3
InChIKey
IIRJNOLNCXOXOR-UHFFFAOYSA-N
Compound name
tert-butyl N-(azetidin-3-ylmethyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

200.15248 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.15976 151.4
[M+Na]+ 223.14170 154.4
[M-H]- 199.14520 153.0
[M+NH4]+ 218.18630 162.5
[M+K]+ 239.11564 157.9
[M+H-H2O]+ 183.14974 139.6
[M+HCOO]- 245.15068 168.9
[M+CH3COO]- 259.16633 190.9
[M+Na-2H]- 221.12715 154.1
[M]+ 200.15193 159.6
[M]- 200.15303 159.6
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