CID 544677

1-(propan-2-yl)azetidin-3-ol

Structural Information

Molecular Formula
C6H13NO
SMILES
CC(C)N1CC(C1)O
InChI
InChI=1S/C6H13NO/c1-5(2)7-3-6(8)4-7/h5-6,8H,3-4H2,1-2H3
InChIKey
XSGMJDQRZDWEPW-UHFFFAOYSA-N
Compound name
1-propan-2-ylazetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

487
Patents

115.09972 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 124.5
[M+Na]+ 138.088938 130.4
[M-H]- 114.092444 125.5
[M+NH4]+ 133.133543 138.9
[M+K]+ 154.062878 133.0
[M+H-H2O]+ 98.096980 114.3
[M+HCOO]- 160.097921 143.1
[M+CH3COO]- 174.113571 172.8
[M+Na-2H]- 136.074386 128.8
[M]+ 115.09917142 131.3
[M]- 115.10026858 131.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe