CID 135393346

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

Structural Information

Molecular Formula
C9H19N3O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CN)N
InChI
InChI=1S/C9H19N3O2/c1-8(2,3)14-7(13)12-5-9(11,4-10)6-12/h4-6,10-11H2,1-3H3
InChIKey
RBWLULOEGYJHKZ-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-3-(aminomethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.14772 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.15500 153.3
[M+Na]+ 224.13694 157.6
[M-H]- 200.14044 154.5
[M+NH4]+ 219.18154 165.7
[M+K]+ 240.11088 160.4
[M+H-H2O]+ 184.14498 142.5
[M+HCOO]- 246.14592 171.6
[M+CH3COO]- 260.16157 191.5
[M+Na-2H]- 222.12239 156.2
[M]+ 201.14717 159.5
[M]- 201.14827 159.5
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.