CID 13202183

50675-25-7

Structural Information

Molecular Formula
C8H17NO
SMILES
CC1(CC(CCO1)CN)C
InChI
InChI=1S/C8H17NO/c1-8(2)5-7(6-9)3-4-10-8/h7H,3-6,9H2,1-2H3
InChIKey
PEBUOYQIAGLEJO-UHFFFAOYSA-N
Compound name
(2,2-dimethyloxan-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

143.13101 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.138286 131.8
[M+Na]+ 166.120228 137.6
[M-H]- 142.123734 135.3
[M+NH4]+ 161.164833 153.7
[M+K]+ 182.094168 138.0
[M+H-H2O]+ 126.128270 127.1
[M+HCOO]- 188.129211 152.1
[M+CH3COO]- 202.144861 176.1
[M+Na-2H]- 164.105676 138.3
[M]+ 143.13046142 128.0
[M]- 143.13155858 128.0
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