CID 54593129

(3-methyloxolan-3-yl)methanamine

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

85
Patents

115.09972 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 122.9
[M+Na]+ 138.08894 129.4
[M-H]- 114.09244 126.4
[M+NH4]+ 133.13354 147.2
[M+K]+ 154.06288 130.0
[M+H-H2O]+ 98.096980 118.6
[M+HCOO]- 160.09792 145.8
[M+CH3COO]- 174.11357 168.7
[M+Na-2H]- 136.07439 129.9
[M]+ 115.09917 120.0
[M]- 115.10027 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