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

3
Patents

201.14772 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.154996 153.3
[M+Na]+ 224.136938 157.6
[M-H]- 200.140444 154.5
[M+NH4]+ 219.181543 165.7
[M+K]+ 240.110878 160.4
[M+H-H2O]+ 184.144980 142.5
[M+HCOO]- 246.145921 171.6
[M+CH3COO]- 260.161571 191.5
[M+Na-2H]- 222.122386 156.2
[M]+ 201.14717142 159.5
[M]- 201.14826858 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

patents stripe