CID 282393

(1-tert-butylazetidin-2-yl)methanol

Structural Information

Molecular Formula
C8H17NO
SMILES
CC(C)(C)N1CCC1CO
InChI
InChI=1S/C8H17NO/c1-8(2,3)9-5-4-7(9)6-10/h7,10H,4-6H2,1-3H3
InChIKey
VGWGGPWCDSSOEC-UHFFFAOYSA-N
Compound name
(1-tert-butylazetidin-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

143.13101 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 133.4
[M+Na]+ 166.12023 139.2
[M-H]- 142.12373 134.3
[M+NH4]+ 161.16483 147.0
[M+K]+ 182.09417 141.3
[M+H-H2O]+ 126.12827 123.5
[M+HCOO]- 188.12921 150.8
[M+CH3COO]- 202.14486 177.5
[M+Na-2H]- 164.10568 138.5
[M]+ 143.13046 141.0
[M]- 143.13156 141.0
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