CID 122164231

(6-methyloxan-2-yl)methanamine

Structural Information

Molecular Formula
C7H15NO
SMILES
CC1CCCC(O1)CN
InChI
InChI=1S/C7H15NO/c1-6-3-2-4-7(5-8)9-6/h6-7H,2-5,8H2,1H3
InChIKey
QXQSPIPCFWHJDB-UHFFFAOYSA-N
Compound name
(6-methyloxan-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

129.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 128.4
[M+Na]+ 152.10459 133.6
[M-H]- 128.10809 131.6
[M+NH4]+ 147.14919 148.7
[M+K]+ 168.07853 133.9
[M+H-H2O]+ 112.11263 122.9
[M+HCOO]- 174.11357 148.9
[M+CH3COO]- 188.12922 173.5
[M+Na-2H]- 150.09004 134.1
[M]+ 129.11482 123.9
[M]- 129.11592 123.9
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