CID 82613381

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

Structural Information

Molecular Formula
C11H22N2O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)CCCN
InChI
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-9(8-13)5-4-6-12/h9H,4-8,12H2,1-3H3
InChIKey
PCVWQHKPZXIGDH-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-aminopropyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

214.16812 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.17540 155.7
[M+Na]+ 237.15734 159.0
[M+NH4]+ 232.20194 157.7
[M+K]+ 253.13128 157.0
[M-H]- 213.16084 152.1
[M+Na-2H]- 235.14279 155.0
[M]+ 214.16757 153.6
[M]- 214.16867 153.6
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