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 155.8
[M+Na]+ 237.15734 159.5
[M-H]- 213.16084 156.9
[M+NH4]+ 232.20194 166.4
[M+K]+ 253.13128 161.9
[M+H-H2O]+ 197.16538 144.0
[M+HCOO]- 259.16632 173.2
[M+CH3COO]- 273.18197 193.5
[M+Na-2H]- 235.14279 157.4
[M]+ 214.16757 164.3
[M]- 214.16867 164.3
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