CID 56924482

1158758-77-0

Structural Information

Molecular Formula
C9H18N2O2
SMILES
CC1(CN(C1)C(=O)OC(C)(C)C)N
InChI
InChI=1S/C9H18N2O2/c1-8(2,3)13-7(12)11-5-9(4,10)6-11/h5-6,10H2,1-4H3
InChIKey
LDWZHGRHSCFIJE-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-3-methylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
Patents

186.13683 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.144106 146.9
[M+Na]+ 209.126048 152.4
[M-H]- 185.129554 148.8
[M+NH4]+ 204.170653 160.7
[M+K]+ 225.099988 155.4
[M+H-H2O]+ 169.134090 137.1
[M+HCOO]- 231.135031 165.1
[M+CH3COO]- 245.150681 187.2
[M+Na-2H]- 207.111496 150.9
[M]+ 186.13628142 155.1
[M]- 186.13737858 155.1
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