CID 19034078

Tert-butyl 3-(3-hydroxypropyl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C11H21NO3
SMILES
CC(C)(C)OC(=O)N1CC(C1)CCCO
InChI
InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-7-9(8-12)5-4-6-13/h9,13H,4-8H2,1-3H3
InChIKey
GTUCWIHPIAGCEC-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-hydroxypropyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

215.15215 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.15943 152.8
[M+Na]+ 238.14137 157.0
[M-H]- 214.14487 153.2
[M+NH4]+ 233.18597 163.3
[M+K]+ 254.11531 159.4
[M+H-H2O]+ 198.14941 141.9
[M+HCOO]- 260.15035 168.8
[M+CH3COO]- 274.16600 188.8
[M+Na-2H]- 236.12682 155.1
[M]+ 215.15160 162.7
[M]- 215.15270 162.7
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