CID 54593129

864814-30-2

Structural Information

Molecular Formula
C6H13NO
SMILES
CC1(CCOC1)CN
InChI
InChI=1S/C6H13NO/c1-6(4-7)2-3-8-5-6/h2-5,7H2,1H3
InChIKey
BIHDPCZORCLZAJ-UHFFFAOYSA-N
Compound name
(3-methyloxolan-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

115.09972 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 122.9
[M+Na]+ 138.088938 129.4
[M-H]- 114.092444 126.4
[M+NH4]+ 133.133543 147.2
[M+K]+ 154.062878 130.0
[M+H-H2O]+ 98.096980 118.6
[M+HCOO]- 160.097921 145.8
[M+CH3COO]- 174.113571 168.7
[M+Na-2H]- 136.074386 129.9
[M]+ 115.09917142 120.0
[M]- 115.10026858 120.0
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