CID 53393300

1341782-83-9

Structural Information

Molecular Formula
C6H13NO
SMILES
CC(C)NC1COC1
InChI
InChI=1S/C6H13NO/c1-5(2)7-6-3-8-4-6/h5-7H,3-4H2,1-2H3
InChIKey
XESAXGZAVQQNBN-UHFFFAOYSA-N
Compound name
N-propan-2-yloxetan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

115.09972 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 123.0
[M+Na]+ 138.088938 127.3
[M-H]- 114.092444 127.0
[M+NH4]+ 133.133543 137.5
[M+K]+ 154.062878 131.9
[M+H-H2O]+ 98.096980 112.6
[M+HCOO]- 160.097921 144.4
[M+CH3COO]- 174.113571 176.2
[M+Na-2H]- 136.074386 129.8
[M]+ 115.09917142 130.6
[M]- 115.10026858 130.6
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