CID 64100330

[2-(propan-2-yl)oxan-4-yl]methanamine hydrochloride

Structural Information

Molecular Formula
C9H19NO
SMILES
CC(C)C1CC(CCO1)CN
InChI
InChI=1S/C9H19NO/c1-7(2)9-5-8(6-10)3-4-11-9/h7-9H,3-6,10H2,1-2H3
InChIKey
HTNALYQLVYDBSI-UHFFFAOYSA-N
Compound name
(2-propan-2-yloxan-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.14667 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.15395 138.3
[M+Na]+ 180.13589 142.5
[M-H]- 156.13939 141.2
[M+NH4]+ 175.18049 157.4
[M+K]+ 196.10983 142.7
[M+H-H2O]+ 140.14393 132.5
[M+HCOO]- 202.14487 157.1
[M+CH3COO]- 216.16052 180.5
[M+Na-2H]- 178.12134 141.7
[M]+ 157.14612 133.9
[M]- 157.14722 133.9
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

No patent data available for this compound.