CID 10679125

Tert-butyl 3-(aminomethyl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C9H18N2O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)CN
InChI
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-5-7(4-10)6-11/h7H,4-6,10H2,1-3H3
InChIKey
XSJPKMUFBHSIRA-UHFFFAOYSA-N
Compound name
tert-butyl 3-(aminomethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

980
Patents

186.13683 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.144106 146.4
[M+Na]+ 209.126048 151.0
[M-H]- 185.129554 147.9
[M+NH4]+ 204.170653 158.2
[M+K]+ 225.099988 153.9
[M+H-H2O]+ 169.134090 135.0
[M+HCOO]- 231.135031 164.6
[M+CH3COO]- 245.150681 187.6
[M+Na-2H]- 207.111496 149.2
[M]+ 186.13628142 154.2
[M]- 186.13737858 154.2
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