CID 14280902

Tert-butyl n-(azetidin-2-ylmethyl)carbamate

Structural Information

Molecular Formula
C9H18N2O2
SMILES
CC(C)(C)OC(=O)NCC1CCN1
InChI
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-6-7-4-5-10-7/h7,10H,4-6H2,1-3H3,(H,11,12)
InChIKey
QMZBFSZZEGSSPH-UHFFFAOYSA-N
Compound name
tert-butyl N-(azetidin-2-ylmethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

186.13683 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.14411 146.9
[M+Na]+ 209.12605 150.1
[M-H]- 185.12955 147.1
[M+NH4]+ 204.17065 157.8
[M+K]+ 225.09999 152.5
[M+H-H2O]+ 169.13409 135.3
[M+HCOO]- 231.13503 164.2
[M+CH3COO]- 245.15068 184.6
[M+Na-2H]- 207.11150 150.8
[M]+ 186.13628 153.4
[M]- 186.13738 153.4
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