CID 23123995

2-methyloxan-4-amine

Structural Information

Molecular Formula
C6H13NO
SMILES
CC1CC(CCO1)N
InChI
InChI=1S/C6H13NO/c1-5-4-6(7)2-3-8-5/h5-6H,2-4,7H2,1H3
InChIKey
QPXXGRHIYAAMDU-UHFFFAOYSA-N
Compound name
2-methyloxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

228
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 123.7
[M+Na]+ 138.088938 129.4
[M-H]- 114.092444 127.1
[M+NH4]+ 133.133543 144.6
[M+K]+ 154.062878 130.0
[M+H-H2O]+ 98.096980 118.5
[M+HCOO]- 160.097921 144.6
[M+CH3COO]- 174.113571 170.4
[M+Na-2H]- 136.074386 130.0
[M]+ 115.09917142 118.9
[M]- 115.10026858 118.9
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