CID 121207695

Tert-butyl 3,3-bis(aminomethyl)azetidine-1-carboxylate dihydrochloride

Structural Information

Molecular Formula
C10H21N3O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CN)CN
InChI
InChI=1S/C10H21N3O2/c1-9(2,3)15-8(14)13-6-10(4-11,5-12)7-13/h4-7,11-12H2,1-3H3
InChIKey
RKVLOTJYDIXLDZ-UHFFFAOYSA-N
Compound name
tert-butyl 3,3-bis(aminomethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.16338 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.170656 157.8
[M+Na]+ 238.152598 161.7
[M-H]- 214.156104 158.8
[M+NH4]+ 233.197203 169.6
[M+K]+ 254.126538 164.3
[M+H-H2O]+ 198.160640 146.9
[M+HCOO]- 260.161581 175.8
[M+CH3COO]- 274.177231 194.5
[M+Na-2H]- 236.138046 160.2
[M]+ 215.16283142 164.4
[M]- 215.16392858 164.4
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

No patent data available for this compound.